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| CAS No.: | 89365-50-4 |
|---|---|
| Name: | Salmeterol |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C25H37NO4 |
| Molecular Weight: | 415.573 |
| Synonyms: | 2-(Hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]Phenol;GR 33343X;SalmeterolXenofoate; |
| Density: | 1.112 g/cm3 |
| Melting Point: | 75.5-76.5° |
| Boiling Point: | 603 °C at 760 mmHg |
| Flash Point: | 318.5 °C |
| PSA: | 81.95000 |
| LogP: | 4.49830 |
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- 90221-55-92-bromo-5-methylbenzaldehyde
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 95789-13-21,3,7-trimethylpurine-2,6-dione
- 956104-42-02-Bromo-5-nitro-3-(trifluoromethyl)pyridine
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Specification
The Salmeterol, with the CAS registry number 89365-50-4, is also known as 1,3-Benzenedimethanol, 4-hydroxy-α1-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-. It belongs to the product categories of Aromatic Building Blocks; API. This chemical's molecular formula is C25H37NO4 and molecular weight is 415.57. What's more, both its IUPAC name and systematic name are the same which is called 2-(Hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]Phenol. This chemical is a long-acting beta2-adrenergic receptor agonist drug that is currently prescribed for the treatment of asthma and chronic obstructive pulmonary disease. It is currently available as a dry powder inhaler that releases a powdered form of the drug. Before 2008, it was also available as a metered-dose inhaler.
Physical properties about Salmeterol are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.53; (7)ACD/KOC (pH 5.5): 1.05; (8)ACD/KOC (pH 7.4): 13.42; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 40.16 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 121.82 cm3; (15)Molar Volume: 373.6 cm3; (16)Surface Tension: 48.3 dyne/cm; (17)Density: 1.112 g/cm3; (18)Flash Point: 318.5 °C; (19)Enthalpy of Vaporization: 94.33 kJ/mol; (20)Boiling Point: 603 °C at 760 mmHg; (21)Vapour Pressure: 2.16E-15 mmHg at 25 °C.
Preparation of Salmeterol: this chemical can be prepared by 3-Methylol-4,α-dyhydroxy phenylethylamine.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2
(2) InChI: InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
(3) InChIKey: GIIZNNXWQWCKIB-UHFFFAOYSA-N